CID 3068961

84044-28-0

Structural Information

Molecular Formula
C24H21ClN4O4
SMILES
COC1=C(C(=CC=C1)OC)C(=O)NNC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C24H21ClN4O4/c1-32-18-9-6-10-19(33-2)20(18)23(30)29-28-22-24(31)26-17-12-11-15(25)13-16(17)21(27-22)14-7-4-3-5-8-14/h3-13,22,28H,1-2H3,(H,26,31)(H,29,30)
InChIKey
QHONGBAFCHPZOB-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2,6-dimethoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.12512 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.13240 212.0
[M+Na]+ 487.11434 219.3
[M-H]- 463.11784 219.9
[M+NH4]+ 482.15894 217.9
[M+K]+ 503.08828 218.8
[M+H-H2O]+ 447.12238 201.0
[M+HCOO]- 509.12332 225.8
[M+CH3COO]- 523.13897 219.4
[M+Na-2H]- 485.09979 214.2
[M]+ 464.12457 212.4
[M]- 464.12567 212.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.